4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide

C25H21N3O2S — CID 25041425

IUPAC4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21N3O2S/c26-31(29,30)25-17-13-21(14-18-25)27-19-20-11-15-24(16-12-20)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-19H,(H2,26,29,30)/b27-19+
InChIKeyWPTQCCPXLQDWNZ-ZXVVBBHZSA-N
MW427.53 g/mol
LogP5.55
Rot. Bonds6

About 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide

4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 25041425) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
PubChem CID25041425
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Name4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21N3O2S/c26-31(29,30)25-17-13-21(14-18-25)27-19-20-11-15-24(16-12-20)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-19H,(H2,26,29,30)/b27-19+
InChIKeyWPTQCCPXLQDWNZ-ZXVVBBHZSA-N
XLogP5.55
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide (CID 25041425) is 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is WPTQCCPXLQDWNZ-ZXVVBBHZSA-N. The full InChI is InChI=1S/C25H21N3O2S/c26-31(29,30)25-17-13-21(14-18-25)27-19-20-11-15-24(16-12-20)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-19H,(H2,26,29,30)/b27-19+.
What are the key properties of 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 25041425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).